IFLAB-ZINC05258405 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 53 0 0 1 0 0 0 0 0999 V2000 -1.7450 0.6920 -0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -0.4720 -0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6950 -1.0750 0.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 -2.1540 1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 -2.6390 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 -2.0560 -1.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -0.9630 -1.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 -0.3420 -2.6240 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -0.6180 -3.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 -1.3740 -3.8440 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 0.1500 -4.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 -0.7210 -6.2500 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6950 -1.3860 -6.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 0.2520 -7.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 0.1470 -8.0270 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -2.9740 -6.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 -3.6420 -6.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4980 -5.0980 -7.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8760 -5.7600 -7.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 -7.2350 -7.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1450 -7.8810 -7.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.7780 0.3470 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2310 -3.9630 1.4950 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0790 -4.4870 -0.6310 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1990 1.5830 -0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5260 0.4510 -1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2410 0.9400 0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2850 -0.7020 1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2210 -2.5990 2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -2.4710 -1.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 0.3880 -2.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 0.5630 -4.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 1.0060 -5.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 -2.9070 -7.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 -3.4940 -6.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2540 -3.0890 -7.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1030 -3.6060 -5.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8630 -5.6510 -6.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 -5.1430 -8.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4970 -5.2290 -8.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3790 -5.6770 -6.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1490 -7.7640 -7.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2630 -7.3240 -8.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7630 -7.4400 -8.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -7.8320 -6.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 0.9570 -7.6890 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4320 -1.5960 -6.3050 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0010 -1.0360 -6.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 -1.5930 -5.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9880 -9.3190 -8.2240 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9010 -9.7900 -8.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5120 -9.4550 -9.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4380 -9.8060 -7.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 47 1 0 0 0 0 14 15 2 0 0 0 0 14 46 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 50 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 50 53 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M CHG 1 46 -1 M CHG 1 47 1 M CHG 1 50 1 M END